LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5-ethylnonane-2,4-dione

Synonyms

LM ID

LMFA12000415

Formula

C₁₁H₂₀O₂

Exact Mass

Calculate m/z

184.14633

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Caiman crocodilus (#8499)

Ethyl-branched aldehydes, ketones, and diketones from caimans (Caiman and Paleosuchus; Crocodylia, Reptilia).,
J Nat Prod, 2006

Pubmed ID: 16792401

DOI: 10.1021/np0600797

String Representations

InChiKey (Click to copy)

LOZUOAXDIFHKSF-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C11H20O2/c1-4-6-7-10(5-2)11(13)8-9(3)12/h10H,4-8H2,1-3H3

SMILES (Click to copy)

CC(=O)CC(=O)C(CC)CCCC

Other Databases

PubChem CID

219276

Calculated Physicochemical Properties

Heavy Atoms 13

Rings

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 211.16

Topological Polar Surface Area 34.14

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 2.75

Molar Refractivity 53.61

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Created at

23rd Oct 2026

Updated at